4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide

C11H9F3N4O2 — CID 63101769

IUPAC4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide
SMILESNc1cn[nH]c1C(=O)Nc1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C11H9F3N4O2/c12-6-3-5(1-2-8(6)20-11(13)14)17-10(19)9-7(15)4-16-18-9/h1-4,11H,15H2,(H,16,18)(H,17,19)
InChIKeyCCLLLKXDCHXBDX-UHFFFAOYSA-N
MW286.21 g/mol
LogP1.98
Rot. Bonds4

About 4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide

4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide (PubChem CID 63101769) has the molecular formula C11H9F3N4O2 and a molecular weight of 286.21 g/mol. Its IUPAC name is 4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide
PubChem CID63101769
Molecular FormulaC11H9F3N4O2
Molecular Weight286.21 g/mol
Exact Mass286.07
IUPAC Name4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide
SMILESNc1cn[nH]c1C(=O)Nc1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C11H9F3N4O2/c12-6-3-5(1-2-8(6)20-11(13)14)17-10(19)9-7(15)4-16-18-9/h1-4,11H,15H2,(H,16,18)(H,17,19)
InChIKeyCCLLLKXDCHXBDX-UHFFFAOYSA-N
XLogP1.98
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 55177446
3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide
CID 64525284
4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,2,5-oxadiazole-3-carboxamide
CID 62688517
6-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazine-2-carboxamide
CID 106551160
2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide
CID 60807874
5-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-4-sulfonamide
CID 61126289
N-(5-acetamido-2-methoxyphenyl)-4-amino-1H-pyrazole-5-carboxamide
CID 63101953
4-amino-N-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide
CID 63106114
4-amino-N-(3-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide
CID 63105759
2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]pyridine-4-carboxamide
CID 61040886
3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide;hydrochloride
CID 119295358
N-[4-(difluoromethoxy)-3-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87026065

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide (CID 63101769) is 4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide is Nc1cn[nH]c1C(=O)Nc1ccc(OC(F)F)c(F)c1.
What is the InChIKey of 4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is CCLLLKXDCHXBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2/c12-6-3-5(1-2-8(6)20-11(13)14)17-10(19)9-7(15)4-16-18-9/h1-4,11H,15H2,(H,16,18)(H,17,19).
What are the key properties of 4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide?
4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 286.21 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63101769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).